What equations do everyone use for simulation with Pro2?
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I use BWRS and SRK.
For generally polar systems, activity is used; for non-polar systems, equations are used; for special systems, special equations are chosen.
Except for electrolytes, the SRK equation is generally accepted for most materials.
Explore and take in more at Haichuan! There’s a post about thermodynamic selection!
Choosing a thermodynamic equation is like taking a bus when going out; obviously, the bus you take depends on whether you are starting from one place or arriving at another. If you ignore where you are and where you are going, and simply insist on taking a certain bus, wouldn’t that be utterly absurd?
This question is too general; let’s analyze specific issues individually. There are many posts about thermodynamics. But most of the time I use SRK and NRTL :)
I often struggle with the issue of choosing the right equation; SRK is indeed used frequently, but PR is more suitable in certain situations. I think the safest and most reliable approach is to compare things with actual data and calculation results. I’m currently working on a paper, and there’s a particular physical system that’s giving me a lot of trouble; I’m trying to figure out how to deal with it...